ethane;(Z)-4-imino-3-methylpent-2-en-2-amine

C8H18N2 — CID 143449462

IUPACethane;(Z)-4-imino-3-methylpent-2-en-2-amine
SMILESCC.[H]/N=C(C)/C(C)=C(/C)N
InChIInChI=1S/C6H12N2.C2H6/c1-4(5(2)7)6(3)8;1-2/h7H,8H2,1-3H3;1-2H3/b6-4-,7-5+;
InChIKeyOEJZOWXQJXJMQY-ZMVRXXEHSA-N
MW142.25 g/mol
LogP2.30
Rot. Bonds1

About ethane;(Z)-4-imino-3-methylpent-2-en-2-amine

ethane;(Z)-4-imino-3-methylpent-2-en-2-amine (PubChem CID 143449462) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is ethane;(Z)-4-imino-3-methylpent-2-en-2-amine.

Molecular Properties

Compound Nameethane;(Z)-4-imino-3-methylpent-2-en-2-amine
PubChem CID143449462
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Nameethane;(Z)-4-imino-3-methylpent-2-en-2-amine
SMILESCC.[H]/N=C(C)/C(C)=C(/C)N
InChIInChI=1S/C6H12N2.C2H6/c1-4(5(2)7)6(3)8;1-2/h7H,8H2,1-3H3;1-2H3/b6-4-,7-5+;
InChIKeyOEJZOWXQJXJMQY-ZMVRXXEHSA-N
XLogP2.30
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-4-imino-3-methylpent-2-en-2-amine?
The IUPAC name of ethane;(Z)-4-imino-3-methylpent-2-en-2-amine (CID 143449462) is ethane;(Z)-4-imino-3-methylpent-2-en-2-amine.
What is the SMILES notation for ethane;(Z)-4-imino-3-methylpent-2-en-2-amine?
The canonical SMILES for ethane;(Z)-4-imino-3-methylpent-2-en-2-amine is CC.[H]/N=C(C)/C(C)=C(/C)N.
What is the InChIKey of ethane;(Z)-4-imino-3-methylpent-2-en-2-amine?
The InChIKey is OEJZOWXQJXJMQY-ZMVRXXEHSA-N. The full InChI is InChI=1S/C6H12N2.C2H6/c1-4(5(2)7)6(3)8;1-2/h7H,8H2,1-3H3;1-2H3/b6-4-,7-5+;.
What are the key properties of ethane;(Z)-4-imino-3-methylpent-2-en-2-amine?
ethane;(Z)-4-imino-3-methylpent-2-en-2-amine has a molecular weight of 142.25 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-4-imino-3-methylpent-2-en-2-amine is sourced from PubChem (CID 143449462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).